Glycoside
GD090622
Name:
NoneFormula:
C21H24O6N4Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccc3nc(-c4ccccc4)nn3c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1ccc2nc(-c3ccccc3)nn2c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 428.45 | Num_heavy_atoms: | 31 |
| TPSA: | 138.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD39426
Formula: C15H14O2N4
Smiles:
O=C(NCCO)c1ccc2nc(-c3ccccc3)nn2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 282.3 | Num_heavy_atoms: | 21 |
| TPSA: | 79.52 | NumAromaticRings: | 3 |
